Chemical ID: 4101690

C1CCc2c([nH]c(=N)s2)C1
Chemical ID:
4101690
Name [?]:
4,5,6,7-tetrahydro-3H-benzothiazol-2-imine
SMILES [?]:
C1CCc2c([nH]c(=N)s2)C1
InChi [?]:
InChI=1/C7H10N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2,(H2,8,9)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,5,4,7,8,6,9/rA:10nCCCCCNCNSC/rB:s1;s2;s3;d4;s5;s6;w7;s4s7;s1s5;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H10N2S
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.4052
Area:298.407
Solvation:-1.05499
Coulombic:-23.3473
Bond Count [?]
All:11
Single:9
Double:2
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:154.234
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.5
LogP (Chemaxon):1.52

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Descriptor Annotations

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